N-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine

C18H27FN2O — CID 169202996

IUPACN-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine
SMILESCCC(Cc1ccn2ccc(OC)c(F)c12)N(CC)C(C)C
InChIInChI=1S/C18H27FN2O/c1-6-15(21(7-2)13(3)4)12-14-8-10-20-11-9-16(22-5)17(19)18(14)20/h8-11,13,15H,6-7,12H2,1-5H3
InChIKeyFIPVOIYKDCVYFE-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.14
Rot. Bonds7

About N-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine

N-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine (PubChem CID 169202996) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is N-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine
PubChem CID169202996
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC NameN-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine
SMILESCCC(Cc1ccn2ccc(OC)c(F)c12)N(CC)C(C)C
InChIInChI=1S/C18H27FN2O/c1-6-15(21(7-2)13(3)4)12-14-8-10-20-11-9-16(22-5)17(19)18(14)20/h8-11,13,15H,6-7,12H2,1-5H3
InChIKeyFIPVOIYKDCVYFE-UHFFFAOYSA-N
XLogP4.14
TPSA16.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(8-fluoro-7-methoxyindolizin-1-yl)-N-methylethanamine
CID 169203226
N-ethyl-1-(8-methoxyindolizin-1-yl)-N-methylbutan-2-amine
CID 169203291
N-[2-(8-fluoro-7-methoxyindolizin-1-yl)ethyl]-N-methylpropanamide
CID 169203272
1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine
CID 169203117
N-ethyl-1-(6-fluoroindolizin-1-yl)-N-methylbutan-2-amine
CID 169202930
N-ethyl-1-(8-fluoroindolizin-1-yl)propan-2-amine
CID 169203514
1-[2-(dimethylamino)propyl]indolizin-8-ol
CID 169203335
1-[2-[ethyl(methyl)amino]propyl]indolizin-8-ol
CID 169202967
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889477
(2R)-1-(5-fluoro-2,4-dimethoxyphenyl)-N,N-dimethylpropan-2-amine
CID 69390230
N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine
CID 169203165

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine?
The IUPAC name of N-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine (CID 169202996) is N-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine is CCC(Cc1ccn2ccc(OC)c(F)c12)N(CC)C(C)C.
What is the InChIKey of N-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine?
The InChIKey is FIPVOIYKDCVYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-6-15(21(7-2)13(3)4)12-14-8-10-20-11-9-16(22-5)17(19)18(14)20/h8-11,13,15H,6-7,12H2,1-5H3.
What are the key properties of N-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine?
N-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine has a molecular weight of 306.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(8-fluoro-7-methoxyindolizin-1-yl)-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 169202996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).